Brief Information of the Compound and Protein
Compound Name
 Compound Info 
4-[3-(8-methoxy-2,4-dioxo-3-propylpurino[7,8-a]pyridin-1-yl)propylcarbamoyl]benzenesulfonyl fluoride
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 PubChem ID
CID: 155513958
Canonical SMILES
CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2nc3cc(OC)ccn3c2c1=O
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Compound Formula C23H24FN5O6S
Compound Structure
Protein Name
 Protein Info 
Adenosine receptor A3
Protein Classification
Membrane receptor
>
Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Nucleotide-like receptor (family A GPCR)
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Adenosine receptor
Uniprot ID
P0DMS8
Gene Name
ADORA3
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
Kd = 39.81 nM
   TI
   LI
   LO
   TS
2
Ki = 10 nM
   TI
   LI
   LO
   TS
3
Ki = 125.89 nM
   TI
   LI
   LO
   TS
CL000026 CHO-K1
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 27 nM
   TI
   LI
   LO
   TS
2
IC50 = 1072 nM
   TI
   LI
   LO
   TS